SCHEMBL11301072

SCHEMBL11301072

O=[N+]([O-])c1cccc(/C=C/c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.93
NFE2L2 Q16236 3/20 0.89
FBP1 P09467 2/20 0.73
VCP P55072 1/20 0.73
MAPT P10636 4/20 0.66
RAB9A P51151 3/20 0.66
ALDH1A1 P00352 2/20 0.66
NPC1 O15118 2/20 0.66
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
MAOB P27338 2/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GALK1 P51570 1/20 0.57
HTT P42858 1/20 0.56
MCL1 Q07820 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11301074 1.00 CYP19A1 (0.93) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL15498134 0.96 NFE2L2 (0.89) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL1405314 0.94 NFE2L2 (1.00) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL1405312 0.94 NFE2L2 (1.00) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL18971600 0.93 CYP19A1 (0.81) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL7619432 0.92 CYP19A1 (0.80) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL7619437 0.92 CYP19A1 (0.80) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL19327345 0.91 CYP19A1 (0.78) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL11752577 0.91 CYP19A1 (0.78) CYP19A1NFE2L2FBP1VCPMAPT
SCHEMBL11752570 0.91 CYP19A1 (0.78) CYP19A1NFE2L2FBP1VCPMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56086143-A None JP disclosed
JP-56086145-A None JP disclosed
JP-S5686143-A NOVEL DISAZO COMPOUND AND ITS PREPARATION RICOH CO LTD 1981-07-13 JP disclosed
JP-S5686145-A NOVEL DISAZO COMPOUND AND ITS PREPARATION RICOH CO LTD 1981-07-13 JP disclosed
US-3989743-A Process for the preparation of 4,4'-diaminostilbene-2,2'-disulphonic acid BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed